N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine

Basic Information

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CAS Number

153436-53-4

Molecular Formula

C16H14ClN3O2

Molecular Weight

315.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

458.5°C at 760 mmHg

Flash Point

231.1ºC

SMILES

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COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

InChIKey

GFNNBHLJANVSQV-UHFFFAOYSA-N

LogP

4.044000000000002

Topological Polar Surface Area

56.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

360

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CCG-52663
Tyrphostin AG 1478
B0084-209186
A811809
BCBcMAP01_000035
SR-01000076156
BRD-K68336408-003-02-2
HMS3656B19
NCGC00016017-04
11N-812
DTXCID9030044
NCGC00025093-04
Lopac-T-4182
BDBM3532
NCGC00261812-01
HMS1791F12
AG-1478 free base
NCGC00016017-06
BCP07988
SDCCGSBI-0051095.P003
NCGC00025093-03
AG-1478
NCGC00016017-07
SR-01000076156-4
HMS1989F12
0TO
LP01127
BRD6408
BSPBio_001390
KBio2_002678
175178-82-2

MDL Number

MFCD00270914

Customs Code

2933990090

FAQ

What are the physical and chemical properties of N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine (CAS: 153436-53-4)?

N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine is a crystalline solid with a molecular weight of approximately 354.13 g/mol. It has limited water solubility, with a solubility of around 0.1 g/L. This compound shows moderate reactivity with bases and shows minimal reactivity with acids. It is stable under normal storage conditions and has a melting point around 270-272°C.

How is N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine (CAS: 153436-53-4) typically synthesized?

N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine is typically synthesized through a multi-step process involving the reaction of 3-chlorobenzaldehyde with 6,7-dimethoxyquinazoline-4-carbohydrazide. The synthesis involves condensation and reduction steps, with good selectivity and a yield of up to 85%. Catalytic amounts of catalytic palladium complexes are often used to enhance the reaction efficiency.

What industries use N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine (CAS: 153436-53-4)?

N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine is primarily used in the pharmaceutical industry for the development of new drugs. It also finds applications in the chemical and dye industries due to its unique structure and reactivity. Additionally, it is occasionally used in the synthesis of other organic compounds and as a precursor in materials science.

What precautions should be taken when handling N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine (CAS: 153436-53-4)?

When handling N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be used in a well-ventilated fume hood to prevent inhalation. In case of a spill, contaminated clothes should be removed immediately and the area should be flushed with water. For more detailed information, refer to the Safety Data Sheet (SDS) for this compound.